Geometry & MOs

Info

ID:	140269
PubChem CID:	52672202
Reduced:	BrNSO2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-28.18
Dipole, Da:	1.15
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNCC2=CC(=CS2)Br)OC

DOS

IR

Vibrations